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89446-89-9 | Benzonitrile, 4,4'-oxybis[3-(bromomethyl)-
CAS No: 89446-89-9 Catalog No: AG0042WG MDL No:
Product Description
Catalog Number:
AG0042WG
Chemical Name:
Benzonitrile, 4,4'-oxybis[3-(bromomethyl)-
CAS Number:
89446-89-9
Molecular Formula:
C16H10Br2N2O
Molecular Weight:
406.0714
IUPAC Name:
3-(bromomethyl)-4-[2-(bromomethyl)-4-cyanophenoxy]benzonitrile
InChI:
InChI=1S/C16H10Br2N2O/c17-7-13-5-11(9-19)1-3-15(13)21-16-4-2-12(10-20)6-14(16)8-18/h1-6H,7-8H2
InChI Key:
DNDYVUWLJRHHAY-UHFFFAOYSA-N
SMILES:
BrCc1cc(C#N)ccc1Oc1ccc(cc1CBr)C#N
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.914g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.077g/mol
Monoisotopic Mass:
403.916g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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